AOJ

(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

Created:2017-07-20
Last modified:  2017-12-27

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count28
Aromatic Bond Count10
2D diagram of AOJ

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Chemical Component Summary

Name(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
Systematic Name (OpenEye OEToolkits)(3~{R})-3-(5-fluoranyl-1~{H}-indol-3-yl)pyrrolidine-2,5-dione
FormulaC12 H9 F N2 O2
Molecular Weight232.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1C(=O)CC(C1=O)c3cnc2c3cc(cc2)F
SMILESCACTVS3.385Fc1ccc2[nH]cc([CH]3CC(=O)NC3=O)c2c1
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1F)c(c[nH]2)C3CC(=O)NC3=O
Canonical SMILESCACTVS3.385 Fc1ccc2[nH]cc([C@H]3CC(=O)NC3=O)c2c1
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(cc1F)c(c[nH]2)[C@H]3CC(=O)NC3=O
InChIInChI1.03 InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1
InChIKeyInChI1.03 MXKLDYKORJEOPR-MRVPVSSYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4061767
PubChem 118512017
ChEMBL CHEMBL4061767